2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide

C15H26N2O3S — CID 106074176

IUPAC2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccccc1CNCC
InChIInChI=1S/C15H26N2O3S/c1-3-11-20-12-7-10-17-21(18,19)15-9-6-5-8-14(15)13-16-4-2/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyVXWDZKBXLBTFMG-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.89
Rot. Bonds11

About 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide

2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 106074176) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID106074176
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccccc1CNCC
InChIInChI=1S/C15H26N2O3S/c1-3-11-20-12-7-10-17-21(18,19)15-9-6-5-8-14(15)13-16-4-2/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyVXWDZKBXLBTFMG-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074143
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
CID 82947585
N-(2-butoxyethyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106017620

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide (CID 106074176) is 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1ccccc1CNCC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is VXWDZKBXLBTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-11-20-12-7-10-17-21(18,19)15-9-6-5-8-14(15)13-16-4-2/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 106074176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).